(Q105341187)

English

(1S,3aS,3bR,9aR,9bR)-1-[(2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-3a,3b,6,6,9a-pentamethyl-dodecahydrocyclopenta[a]phenanthren-7-one

group of stereoisomers with the chemical formula C₃₀H₅₀O₃

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Statements

group of stereoisomers

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protostane/dammarane triterpenoid

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protostane/dammarane triterpenoid

458.37599545999996 dalton

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based on heuristic

inferred from isomeric SMILES

chemical formula

C₃₀H₅₀O₃

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canonical SMILES

O=C1CCC2(C)C(CCC3(C)C2CCC4C(CCC43C)C5(OC(CC5)C(O)(C)C)C)C1(C)C

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isomeric SMILES

CC1(C)C(=O)CC[C@@]2(C)C1CC[C@]1(C)[C@@H]2CCC2[C@@H]([C@@]3(C)CC[C@@H](C(C)(C)O)O3)CC[C@@]21C

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Identifiers

InChI=1S/C30H50O3/c1-25(2)21-12-17-29(7)22(27(21,5)15-13-23(25)31)10-9-19-20(11-16-28(19,29)6)30(8)18-14-24(33-30)26(3,4)32/h19-22,24,32H,9-18H2,1-8H3/t19?,20-,21?,22+,24-,27-,28-,29+,30+/m0/s1

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XSQYWMLMQVUWSF-STRFAOHKSA-N

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based on heuristic

inferred from InChIKey

UniChem compound ID

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